HIRAO Kimihiko

J-GLOBAL         Last updated: Jul 4, 2002 at 00:00
HIRAO Kimihiko
The University of Tokyo
The Graduate School of Engineering, Department of Applied Chemistry

Research Areas



General SCF operater satisfying correct variational condition(共著)
Journal of chemical Physics   59,1457    1974
Journal of chemical Physics   79,5000    1983
Journal of the Americal Chemical Society   106,6283    1984

Books etc

The SCF Theory. The Cluster Expansion of th Wavefunction Formalism
The SCF Theory(Elsevier)   1990   
Calculations of the Potentiol Energy Surfaces for Chemical Reactions
New Functionality Materials   1993   
Electronic structure theory
Functionality of Molecular Systems   1997   
Molecular symmetry and transition state(共著)
Transition State Theory   1999   
Analytic energy gradients for second-order multire ference perturbation theory(共著)
Recent Advances in Multireference Methods   1999   

Research Grants & Projects

Electronic Structure Theory of Molecules
Electron Correlation Theory
Theory of Chemical Reactions